(1R,6S)-6-(benzylamino)tricyclo[5.2.1.03,9]decan-1-ol

C17H23NO — CID 70988093

IUPAC(1R,6S)-6-(benzylamino)tricyclo[5.2.1.03,9]decan-1-ol
SMILESO[C@@]12CC3CC[C@H](NCc4ccccc4)C(CC31)C2
InChIInChI=1S/C17H23NO/c19-17-9-13-6-7-16(14(10-17)8-15(13)17)18-11-12-4-2-1-3-5-12/h1-5,13-16,18-19H,6-11H2/t13?,14?,15?,16-,17+/m0/s1
InChIKeyCJGDCXQKXACFOZ-LSSJBHJESA-N
MW257.38 g/mol
LogP2.72
Rot. Bonds3

About (1R,6S)-6-(benzylamino)tricyclo[5.2.1.03,9]decan-1-ol

(1R,6S)-6-(benzylamino)tricyclo[5.2.1.03,9]decan-1-ol (PubChem CID 70988093) has the molecular formula C17H23NO and a molecular weight of 257.38 g/mol. Its IUPAC name is (1R,6S)-6-(benzylamino)tricyclo[5.2.1.03,9]decan-1-ol.

Molecular Properties

Compound Name(1R,6S)-6-(benzylamino)tricyclo[5.2.1.03,9]decan-1-ol
PubChem CID70988093
Molecular FormulaC17H23NO
Molecular Weight257.38 g/mol
Exact Mass257.18
IUPAC Name(1R,6S)-6-(benzylamino)tricyclo[5.2.1.03,9]decan-1-ol
SMILESO[C@@]12CC3CC[C@H](NCc4ccccc4)C(CC31)C2
InChIInChI=1S/C17H23NO/c19-17-9-13-6-7-16(14(10-17)8-15(13)17)18-11-12-4-2-1-3-5-12/h1-5,13-16,18-19H,6-11H2/t13?,14?,15?,16-,17+/m0/s1
InChIKeyCJGDCXQKXACFOZ-LSSJBHJESA-N
XLogP2.72
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1S,2R,5R)-N-benzylbicyclo[3.1.0]hexan-2-amine
CID 155210583
(1R,2S,3R)-3-(benzylamino)cyclopentane-1,2-diol
CID 163753125
(1R)-2-(benzylamino)cyclohexan-1-ol
CID 67149916
cis-(1S,2R)-2-(benzylamino)cyclooctan-1-ol
CID 129411683
N-benzyl-3-ethyl-2-methylcyclopentan-1-amine
CID 64920559
benzene;N-benzylcyclohexanamine
CID 142622843
2-(benzylamino)cyclopentane-1,3-diol
CID 57123230
trans-(1S,2R)-N-benzyl-2-tert-butylcyclopropan-1-amine
CID 174043100
2-[(1R,2S)-2-(benzylamino)cyclopropyl]acetic acid
CID 102492755
6-N-benzylspiro[2.5]octane-2,6-diamine
CID 130138432
(1S,2R,4S)-2-(benzylamino)-4-ethenylcyclohexan-1-ol
CID 7155133
(1R,2R,4S)-2-(benzylamino)-4-ethenylcyclohexan-1-ol
CID 7155137

Frequently Asked Questions

What is the IUPAC name of (1R,6S)-6-(benzylamino)tricyclo[5.2.1.03,9]decan-1-ol?
The IUPAC name of (1R,6S)-6-(benzylamino)tricyclo[5.2.1.03,9]decan-1-ol (CID 70988093) is (1R,6S)-6-(benzylamino)tricyclo[5.2.1.03,9]decan-1-ol.
What is the SMILES notation for (1R,6S)-6-(benzylamino)tricyclo[5.2.1.03,9]decan-1-ol?
The canonical SMILES for (1R,6S)-6-(benzylamino)tricyclo[5.2.1.03,9]decan-1-ol is O[C@@]12CC3CC[C@H](NCc4ccccc4)C(CC31)C2.
What is the InChIKey of (1R,6S)-6-(benzylamino)tricyclo[5.2.1.03,9]decan-1-ol?
The InChIKey is CJGDCXQKXACFOZ-LSSJBHJESA-N. The full InChI is InChI=1S/C17H23NO/c19-17-9-13-6-7-16(14(10-17)8-15(13)17)18-11-12-4-2-1-3-5-12/h1-5,13-16,18-19H,6-11H2/t13?,14?,15?,16-,17+/m0/s1.
What are the key properties of (1R,6S)-6-(benzylamino)tricyclo[5.2.1.03,9]decan-1-ol?
(1R,6S)-6-(benzylamino)tricyclo[5.2.1.03,9]decan-1-ol has a molecular weight of 257.38 g/mol, XLogP of 2.72, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,6S)-6-(benzylamino)tricyclo[5.2.1.03,9]decan-1-ol is sourced from PubChem (CID 70988093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).